[(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate

C7H13NO4Si — CID 173351934

IUPAC[(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate
SMILESCC(=O)O[C@H]1NC(=O)[C@@H]1[C@@H](C)O[SiH3]
InChIInChI=1S/C7H13NO4Si/c1-3(12-13)5-6(10)8-7(5)11-4(2)9/h3,5,7H,1-2,13H3,(H,8,10)/t3-,5+,7-/m1/s1
InChIKeyOVPQTTMJNBWVPA-SYTVJDICSA-N
MW203.27 g/mol
LogP-1.69
Rot. Bonds3

About [(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate

[(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate (PubChem CID 173351934) has the molecular formula C7H13NO4Si and a molecular weight of 203.27 g/mol. Its IUPAC name is [(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate
PubChem CID173351934
Molecular FormulaC7H13NO4Si
Molecular Weight203.27 g/mol
Exact Mass203.06
IUPAC Name[(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate
SMILESCC(=O)O[C@H]1NC(=O)[C@@H]1[C@@H](C)O[SiH3]
InChIInChI=1S/C7H13NO4Si/c1-3(12-13)5-6(10)8-7(5)11-4(2)9/h3,5,7H,1-2,13H3,(H,8,10)/t3-,5+,7-/m1/s1
InChIKeyOVPQTTMJNBWVPA-SYTVJDICSA-N
XLogP-1.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate?
The IUPAC name of [(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate (CID 173351934) is [(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate.
What is the SMILES notation for [(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate?
The canonical SMILES for [(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate is CC(=O)O[C@H]1NC(=O)[C@@H]1[C@@H](C)O[SiH3].
What is the InChIKey of [(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate?
The InChIKey is OVPQTTMJNBWVPA-SYTVJDICSA-N. The full InChI is InChI=1S/C7H13NO4Si/c1-3(12-13)5-6(10)8-7(5)11-4(2)9/h3,5,7H,1-2,13H3,(H,8,10)/t3-,5+,7-/m1/s1.
What are the key properties of [(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate?
[(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate has a molecular weight of 203.27 g/mol, XLogP of -1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate is sourced from PubChem (CID 173351934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).